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On single-crystal total scattering data reduction and correction protocols for analysis in direct space

Data reduction and correction steps and processed data reproducibility in the emerging single-crystal total-scattering-based technique of three-dimensional differential atomic pair distribution function (3D-ΔPDF) analysis are explored. All steps from sample measurement to data processing are outlined using a crystal of CuIr 2 S 4 as an example, studied in a setup equipped with a high-energy X-ray beam and a flat-panel area detector. Computational overhead as pertains to data sampling and the associated data-processing steps is also discussed. Various aspects of the final 3D-ΔPDF reproducibility are explicitly tested by varying the data-processing order and included steps, and by carrying out a crystal-to-crystal data comparison. Situations in which the 3D-ΔPDF is robust are identified, and caution against a few particular cases which can lead to inconsistent 3D-ΔPDFs is noted. Although not all the approaches applied herein will be valid across all systems, and a more in-depth analysis of some of the effects of the data-processing steps may still needed, the methods collected herein represent the start of a more systematic discussion about data processing and corrections in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Completing the Feedback Loop: The Impact of Chlorophyll Data Assimilation on the Ocean State

In anticipation of the integration of a full biochemical model into the next generation GMAO coupled system, an intermediate solution has been implemented to estimate the penetration depth (1Kd_PAR) of ocean radiation based on the chlorophyll concentration. The chlorophyll is modeled as a tracer with sources-sinks coming from the assimilation of MODIS chlorophyll data. Two experiments were conducted with the coupled ocean-atmosphere model. In the first, climatological values of Kpar were used. In the second, retrieved daily chlorophyll concentrations were assimilated and Kd_PAR was derived according to Morel et al (2007). No other data was assimilated to isolate the effects of the time-evolving chlorophyll field. The daily MODIS Kd_PAR product was used to validate the skill of the penetration depth estimation and the MERRA-OCEAN re-analysis was used as a benchmark to study the sensitivity of the upper ocean heat content and vertical temperature distribution to the chlorophyll input. In the experiment with daily chlorophyll data assimilation, the penetration depth was estimated more accurately, especially in the tropics. As a result, the temperature bias of the model was reduced. A notably robust albeit small (2-5 percent) improvement was found across the equatorial Pacific ocean, which is a critical region for seasonal to inter-annual prediction.

MERRA-OCEAN↗

Characterization of the Triassic Newark Basin of New York and New Jersey for geologic storage of carbon dioxide

The Newark Basin is a Triassic-aged rift basin underlying densely populated, industrialized sections of New York, New Jersey and Pennsylvania. The Basin is an elongate half-graben encompassing an area of more than 7,510 square-kilometers (2,900 square-miles), and could represent a key storage component for commercial scale management of carbon dioxide emissions via geologic sequestration. The project team first acquired published reports, surface and subsurface maps, and seismic data, which formed the basis for a three-dimensional model framework for the northern end of the Basin incorporating stratigraphic, hydrologic, and water quality data. Field investigations included drilling, coring, and logging of two stratigraphic test borings in Clarkstown, NY (Exit 14 Tandem Lot Well No. 1), drilled to a depth of 2,099 meters (6,885 feet); and Palisades, NY (Lamont-Doherty Earth Observatory Test Well No. 4) drilled to a depth of 549 meters (1,802 feet). Two two-dimensional seismic reflection data lines arrayed perpendicularly were acquired by Schlumberger/WesternGeco to help characterize the structure and stratigraphy and as part of pre-drilling field screening activities for the deep stratigraphic borehole. A total of 47 meters (155 feet) of continuous whole core was recovered from the Tandem Lot boring from depths of 1,393 meters (4,570 feet) to 1,486 meters (4,877 feet). Twenty-five horizontal rotary cores were collected in mudstones and sandstones in the surface casing hole and fifty-two cores were taken in various lithologies in the deep borehole. Rotary core plugs were analyzed by Weatherford Laboratories for routine and advanced testing. Rotary core plug trim end thin sections were evaluated by the New York State Museum for mineralogical analysis and porosity estimation. Using core samples, Lawrence Berkley National Laboratory designed and completed laboratory experiments and numerical modeling analyses to characterize the dissolution and reaction of carbon dioxide with formation brine and minerals, and resulting effects on injection rate, pressure, effective storage volume, and carbon dioxide migration within a prospective sandstone reservoir. $$Three potential porous and permeable sandstone units were identified in the Passaic Formation at the New York State Thruway Exit 14 location. Potential Flow Unit 1, at a depth of 643 meters (2,110 feet) to 751 meters (2,465 feet); Potential Flow Unit 2 at a depth of 853 meters (2,798 feet) to 1,000 meters (3,280 feet); and Potential Flow Unit 3, at a depth of 1,114 meters (3,655 feet) to 1,294 meters (4,250 feet). Reactive transport simulations of interactions between carbon dioxide, brine and formation minerals were carried out to evaluate changes in formation water chemistry, mineral precipitation and dissolution reactions, and any potential resulting effects on formation permeability. The experimental and modeling analyses suggest that mineral precipitation and dissolution reactions (within the target formation) are not expected to lead to significant changes to the underground hydrologic system over time frames (~30 years) typically relevant for carbon dioxide injection operations. Key findings of this basin characterization study include an estimate of carbon dioxide storage capacity in the Newark Basin. Assuming an average porosity of twelve percent and an aquifer volume of 6.1E+12 meters3, calculated ranges of likely storage capacity range from 1.9 – 20.2 gigatonnes under high temperature (low carbon dioxide density) conditions; and 2.9 – 30.2 gigatonnes under low temperature (low carbon dioxide density) conditions. Intra-basin faulting, geometry of the Palisades Sill, and the presence of altered meta-sediments above and below the Sill, increase potential compartmentalization within the basin. A structural/stratigraphic trap type may occur where porous/permeable sediments are cross-cut by the Palisades Sill. Potential injection intervals are present within the Stockton Formation of the Newark Basin. Additional porous/permeable intervals may be present within sandstones of the Passaic Formation, increasing projected storage capacity. Deeper wedges of strata are likely present in the deeper portions of the basin in southern New York and into northern New Jersey. Abundant mudstones are present in the Passaic, Lockatong, and Stockton Formations. These intervals have the requisite petrophysical properties to form effective primary and secondary containment intervals to industrial-scale sequestration of carbon dioxide in the Newark Basin. Hydro-thermally altered meta-sediments in the region immediately surrounding the top and base of the Palisades Sill is devoid of porosity/permeability and forms an additional effective lateral/vertical sealing cap rock.

58 GEOSCIENCES↗

Synchronized Waveforms – A Frontier of Data-Based Power System and Apparatus Monitoring, Protection, and Control

Voltage and current waveforms contain the most authentic and granular information on the behaviors of power systems. In recent years, it has become possible to synchronize waveform data measured from different locations. Thus large-scale coordinated analyses of multiple waveforms over a wide area are within our reach. This development could unleash a set of new concepts, strategies, and tools for monitoring, protecting, and controlling power systems and apparatuses. This paper presents an in-depth review and analysis of the advancements in synchronized waveform data, including measurement devices, data characteristics, use cases, and comparisons with synchrophasor data. Based on the findings, five strategies are proposed to discover and develop synchronized waveform based applications over multiple application areas. The paper also presents three complementary measurement platforms and two data screening algorithms for application implementation. It further discusses committee activities and standard developments useful to explore the full potential of the data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Temperatures and thermophysical properties of the lunar outermost layer

Comparisons of calculated diurnal and eclipse temperatures of the lunar outermost layer are made with earth-based infrared and millimeter data. The thermophysical model upon which the calculations are based incorporates variable physical properties. The thermal conductivity is a function of both density (depth) and temperature; the specific heat is a function of temperature; the density is a function of depth; and the dielectric constant and loss tangent are functions of density (depth). Laboratory measurements and Apollo-sample results are incorporated in the property data. Calculational cases are based largely upon different density profiles. The model is consistent with the data, and the comparisons of theoretical and observational temperatures are very favorable. For such comparisons, further sophistication of the thermophysical model of the outermost layer is probably not justified.

Jones, W. P.↗

The Algorithm Theoretical Basis Document for the GLAS Atmospheric Data Products

The purpose of this document is to present a detailed description of the algorithm theoretical basis for each of the GLAS data products. This will be the final version of this document. The algorithms were initially designed and written based on the authors prior experience with high altitude lidar data on systems such as the Cloud and Aerosol Lidar System (CALS) and the Cloud Physics Lidar (CPL), both of which fly on the NASA ER-2 high altitude aircraft. These lidar systems have been employed in many field experiments around the world and algorithms have been developed to analyze these data for a number of atmospheric parameters. CALS data have been analyzed for cloud top height, thin cloud optical depth, cirrus cloud emittance (Spinhirne and Hart, 1990) and boundary layer depth (Palm and Spinhirne, 1987, 1998). The successor to CALS, the CPL, has also been extensively deployed in field missions since 2000 including the validation of GLAS and CALIPSO. The CALS and early CPL data sets also served as the basis for the construction of simulated GLAS data sets which were then used to develop and test the GLAS analysis algorithms.

Palm, Stephen P.↗

Global seismic attenuation imaging using full-waveform inversion: a comparative assessment of different choices of misfit functionals

We present the results of synthetic tests that aim at evaluating the relative performance of three different definitions of misfit functionals in the context of 3-D imaging of shear wave attenuation in the earth’s upper mantle at the global scale, using long-period full-waveform data. The synthetic tests are conducted with simple hypothetical upper-mantle models that contain Q μ anomalies centred at different depths and locations, with or without additional seismic velocity anomalies. To build synthetic waveform data sets, we performed simulations of 50 events in the hypothetical (target) models, using the spectral element method, filtered in the period range 60–400 s. The selected events are chosen among 273 events used in the development of radially anisotropic model SEMUCB-WM1 and recorded at 495 stations worldwide. The synthetic Z-component waveforms correspond to paths and time intervals (fundamental mode and overtone Rayleigh waves) that exist in the real waveform data set. The inversions for shear attenuation structure are carried out using a Gauss–Newton optimization scheme in which the gradient and Hessian are computed using normal mode perturbation theory. The three different misfit functionals considered are based on time domain waveform (WF) and waveform envelope (E-WF) differences, as well as spectral amplitude ratios (SA), between observed and predicted waveforms. We evaluate the performance of the three misfit functional definitions in the presence of seismic noise and unresolved S-wave velocity heterogeneity and discuss the relative importance of physical dispersion effects due to 3-D Q μ structure. We observed that the performance of WF is poorer than the other two misfit functionals in recovering attenuation structure, unless anelastic dispersion effects are taken into account in the calculation of partial derivatives. WF also turns out to be more sensitive to seismic noise than E-WF and SA. Overall, SA performs best for attenuation imaging. Our tests show that it is important to account for 3-D elastic effects (focusing) before inverting for Q μ . Additionally, we show that including high signal-to-noise ratio overtone wave packets is necessary to resolve Q μ structure at depths greater than 250 km.

58 GEOSCIENCES↗

Ultraviolet C ii and Si iii transit spectroscopy and modeling of the evaporating atmosphere of GJ436B

Hydrogen gas evaporating from the atmosphere of the hot-Neptune GJ436b absorbs over 50% of the stellar Lyα emission during transit. Given the planet’s atmospheric composition and energy-limited escape rate, this hydrogen outflow is expected to entrain heavier atoms such as C and O. We searched for C and Si in the escaping atmosphere of GJ436b using far-ultraviolet Hubble Space Telescope COS G130M observations made during the planet’s extended H i transit. These observations show no transit absorption in the C ii 1334,1335 Å and Si iii 1206 Å lines integrated over [−100, 100] km s{sup −1}, imposing 95% (2σ) upper limits of 14% (C ii) and 60% (Si iii) depth on the transit of an opaque disk and 22% (C ii) and 49% (Si iii) depth on an extended highly asymmetric transit similar to that of H i Lyα. C{sup +} is likely present in the outflow according to a simulation we carried out using a spherically symmetric photochemical-hydrodynamical model. This simulation predicts an ∼2% transit over the integrated bandpass, consistent with the data. At line center, we predict the C ii transit depth to be as high as 19%. Our model predicts a neutral hydrogen escape rate of 1.6×10{sup 9} g s{sup −1} (3.1×10{sup 9} g s{sup −1} for all species) for an upper atmosphere composed of hydrogen and helium.

79 ASTRONOMY AND ASTROPHYSICS↗

Improved Absolute Radiometric Calibration of a UHF Airborne Radar

The AirMOSS airborne SAR operates at UHF and produces fully polarimetric imagery. The AirMOSS radar data are used to produce Root Zone Soil Moisture (RZSM) depth profiles. The absolute radiometric accuracy of the imagery, ideally of better than 0.5 dB, is key to retrieving RZSM, especially in wet soils where the backscatter as a function of soil moisture function tends to flatten out. In this paper we assess the absolute radiometric uncertainty in previously delivered data, describe a method to utilize Built In Test (BIT) data to improve the radiometric calibration, and evaluate the improvement from applying the method.

radar calibration↗

Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008

This study was initiated to determine if subsurface contaminants in the A-AX vadose zone at the Hanford site (boreholes D0006 and D0008) caused corrosion of nearby stainless steel well casings (299-E-24-19, 299-E25-46, and 299-E25-236) and, based on the type and distribution of contaminants, determine if contaminants are from one or more sources including a) the A-104 and/or A-105 tanks, b) the 242A evaporator, and c) the 200-E-286 ditch. A tiered approach was used for characterizing contaminants in vadose zone sediments starting with mobile and total contaminant concentrations (Tier 1), characterizing contaminant speciation (Tier 2), and measuring contaminant leaching (Tier 3). Total and mobile contaminant measurements at seven depths showed elevated sulfate and nitrate in all samples (130 to 280 ft depth), elevated chloride in five depths, and no elevated radionuclides except I-129 in D0006 at 206 to 208 ft depth. If these contaminants were initially acidic, stainless-steel corrosion would occur. However, because sediments likely have a high acid neutralization capacity, an acidic spill would have been neutralized within tens of feet, so casing corrosion would likely occur in shallow sediments. GEL labs data also shows low (but above natural) chromate from shallow to 170 ft depth, then higher chromate to 280 ft, suggesting a surface Cr spill or casing corrosion. GEL labs data also showed evidence of more than one plume, with deep nitrate, sulfate, and chloride migration, but only shallow tritium migration. Tritium should migrate nearly unretarded in the subsurface like nitrate and chloride. Elevated aqueous cations and anions in the D0006 206 to 208' depth pore water (SO 4 2- , NO 3 - , Na + , K + , Ca 2+ , Mg 2+ , Si) could be the result of acid disposal and calcite dissolution at shallow depth, with deeper migration of SO 4 2- , NO 3 - from acids and Ca 2+ and Mg 2+ from calcite. Elevated Si (160 mg/L) indicates dissolution of clays or other silicates, which can also occur in acids. Acid extractable metals did show elevated Cr (but not Fe, Ni, Mo, and Mn) above natural levels, which may indicate stainless-steel well corrosion or transport of metals from a shallow spill. The elevated I-129 in D0006 at 206 to 208' depth was low with 0.34 μg/g in pore water and 1.5 μg/g total extractable I-129 in the sediment, which indicates significant fraction of I-129 was bound in one or more precipitates. Although total I-129 was below detection limits in most extractions due to high molybdate interference, I-127 analysis provided some insight into potential precipitate phases. Total I-127 was mainly extracted by acetate or acetic acid (67%), which may be iodine in calcite. Inorganic carbon measurement identified 1.65% calcite, and total organic carbon (TOC) was below detection limits, so iodine was not associated with organic matter. Nearly all the I-127 was present as iodide. In 1-D leach experiments, I-127 as iodide leached from the sediment within 2 pore volumes. Due to high and dynamic molybdate leaching from the sediment and interference with I-129 analysis, there were few quantifiable I-129 measurements. The calculated molybdate release rates from the sediment suggested Mo was being released from the same precipitate phase, such as molybdate incorporated into calcite. Overall, because there was little radioactive contamination measured in D0006 and D0008 boreholes, potential releases from A-104 and A-105 did not reach this location south of the A tank farm. Elevated cations and anions found in D0006 and D0008 at depth as the result of acidic disposal could cause shallow stainless steel casing corrosion. The nearby 242A evaporator generally contained alkaline waste and tritium, but the nearby 200-E-286 ditch generally contained high Cl - liquid effluent, so these are unlikely to be acidic sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TPSAS-NF1676L-11598-DND

Satellite data show a strong summertime maximum in aerosol optical depth (AOD) over the Southeastern (SE) USA that can not be explained by anthropogenic sulfate or organic aerosols at the surface (Goldstein et al., 2009). The biogenic volatile organic compound (BVOC) emissions peak over the same region and models indicate a large source of secondary organic aerosols (SOA) here (van Donkelaar et al., 2007, Zhang et al., 2007, Liao et al., 2007). Aircraft measurements indicate dominance of organic aerosols over sulfates with altitude and models suggest most SOA production from isoprene oxidation takes place above the surface layers. Goldstein et al. (2009) hypothesized that these SOA drive the AOD maximum in summer with an altitude dependence. We examine the distributions of AOD and other optical properties over SE USA using height resolved aerosol data from CALIPSO. We also use AOD data from MODIS and OMI and UV aerosol index from OMI to characterize the aerosols over SE USA.

J Kar↗

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

HERO WEC 2024 Hydraulic Configuration Deployment Data

The following submission includes raw and processed data from the in water deployment of NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC), in the form of parquet files, TDMS files, CSV files, bag files and MATLAB workspaces. This dataset was collected in March 2024 at the Jennette's pier test site in North Carolina. This submission includes the following: - Data description document (HERO WEC FY24 Hydraulic Deployment Data Descriptions.doc) - This document includes detailed descriptions of the type of data and how it was processed and/or calculated. - Processed MATLAB workspace - The processed data is provided in the form of a single MATLAB workspace containing data from the full deployment. This workspace contains data from all sensors down sampled to 10 Hz along with all array Value Added Products (VAPs). - MATLAB visualization scripts - The MATLAB workspaces can be visualized using the file "HERO_WEC_2024_Hydraulic_Config_Data_Viewer.m/mlx". The user simply needs to download the processed MATLAB workspaces, specify the desired start and end times and run this file. Both the .m and .mlx file format has been provided depending on the user's preference. - Summary Data - The fully processed data was used to create a summary data set with averages and important calculations performed on 30-minute intervals to align with the intervals of wave resource data reported from nearby CDIP ocean observing buoys located 20km East of Jennette's pier and 40km Northeast of Jennette's pier. The wave resource data provided in this data set is to be used for reference only due the difference in water depth and proximity to shore between the Jennette's pier test site and the locations of the ocean observing buoys. This data is provided in the Summary Data zip folder, which includes this data set in the form of a MATLAB workspace, parquet file, and excel spreadsheet. - Processed Parquet File - The processed data is provided in the form of a single parquet file containing data from all HERO WEC sensors collected during the full deployment. Data in these files has been down sampled to 10 Hz and all array VAPs are included. - Interim Filtered Data - Raw data from each sensor group partitioned into 30-minute parquet files. These files are outputs from an intermediate stage of data processing and contain the raw data with no Quality Control (QC) or calculations performed in a format that is easier to use than the raw data. - Raw Data - Raw, unprocessed data from this deployment can be found in the Raw Data zip folder. This data is provided in the form of TDMS, CSV, and bag files in the original format output by the MODAQ system. - Python Data Processing Script - This links to an NREL public github repository containing the python script used to go from raw data to fully processed parquet files. Additional documentation on how to use this script is included in the github repository. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗

Estimated Darcy Velocities Using Temperature Time Series for Meander A of East River, Colorado

Heat was used as a tracer to quantify seasonal changes in vertical Darcy velocity through the streambed at three different locations about Meander A of East River, Colorado. The file Raw_Temp.csv represents raw temperature data (in degrees Celsius) collected from the three locations, A, B, and C, at depths of 5, 10, 20, and 35 cm below the sediment-water interface. Darcy velocity estimates were calculated from these data using 1DTempPro and are shown in 1DTempPro_estimates.csv file. Positive values represent upwelling conditions, while negative values indicate downwelling conditions.

54 ENVIRONMENTAL SCIENCES↗

Comparison of Satellite Observations of Aerosol Optical Depth to Surface Monitor Fine Particle Concentration

Under NASA's Earth Science Applications Program, the Infusing satellite Data into Environmental Applications (IDEA) project examined the relationship between satellite observations and surface monitors of air pollutants to facilitate a more capable and integrated observing network. This report provides a comparison of satellite aerosol optical depth to surface monitor fine particle concentration observations for the month of September 2003 at more than 300 individual locations in the continental US. During September 2003, IDEA provided prototype, near real-time data-fusion products to the Environmental Protection Agency (EPA) directed toward improving the accuracy of EPA s next-day Air Quality Index (AQI) forecasts. Researchers from NASA Langley Research Center and EPA used data from the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument combined with EPA ground network data to create a NASA-data-enhanced Forecast Tool. Air quality forecasters used this tool to prepare their forecasts of particle pollution, or particulate matter less than 2.5 microns in diameter (PM2.5), for the next-day AQI. The archived data provide a rich resource for further studies and analysis. The IDEA project uses data sets and models developed for tropospheric chemistry research to assist federal, state, and local agencies in making decisions concerning air quality management to protect public health.

Kleb, Mary M.↗

Methods and Models for Analyzing Methane Sorption Capacity of Coal Based on Its Physicochemical Characteristics

The authors study the influence of physicochemical parameters on methane adsorption capacity of coal and offer the analytical method for the methane adsorption capacity for three-phased condition of methane. It is found that in the depth interval to 300 m below surface, methane adsorption capacity measured in lab can exceed natural gas content of coal obtained from geological exploration data by 30%, and the change in the thermodynamic condition of coal–methane system brings irreversible physicochemical consequences in terms of the altered ratios of physical states of the main components. There is no linear connection between natural gas content of a coal bed and its methane adsorption capacity with respect to occurrence depth. The application of Big Data in treatment and interpretation of large data flows is described. The theoretical data predicted using the proposed method and the experimental data on methane content of Kuzbass coal agree.

01 COAL, LIGNITE, AND PEAT↗

PRODeepSyn: predicting anticancer synergistic drug combinations by embedding cell lines with protein–protein interaction network

Abstract Although drug combinations in cancer treatment appear to be a promising therapeutic strategy with respect to monotherapy, it is arduous to discover new synergistic drug combinations due to the combinatorial explosion. Deep learning technology holds immense promise for better prediction of in vitro synergistic drug combinations for certain cell lines. In methods applying such technology, omics data are widely adopted to construct cell line features. However, biological network data are rarely considered yet, which is worthy of in-depth study. In this study, we propose a novel deep learning method, termed PRODeepSyn, for predicting anticancer synergistic drug combinations. By leveraging the Graph Convolutional Network, PRODeepSyn integrates the protein–protein interaction (PPI) network with omics data to construct low-dimensional dense embeddings for cell lines. PRODeepSyn then builds a deep neural network with the Batch Normalization mechanism to predict synergy scores using the cell line embeddings and drug features. PRODeepSyn achieves the lowest root mean square error of 15.08 and the highest Pearson correlation coefficient of 0.75, outperforming two deep learning methods and four machine learning methods. On the classification task, PRODeepSyn achieves an area under the receiver operator characteristics curve of 0.90, an area under the precision–recall curve of 0.63 and a Cohen’s Kappa of 0.53. In the ablation study, we find that using the multi-omics data and the integrated PPI network’s information both can improve the prediction results. Additionally, the case study demonstrates the consistency between PRODeepSyn and previous studies.

Wang, Xiaowen↗

CORE: A Global Aggregation Service for Open Access Papers

This paper introduces CORE, a widely used scholarly service, which provides access to the world’s largest collection of open access research publications, acquired from a global network of repositories and journals. CORE was created with the goal of enabling text and data mining of scientific literature and thus supporting scientific discovery, but it is now used in a wide range of use cases within higher education, industry, not-for-profit organisations, as well as by the general public. Through the provided services, CORE powers innovative use cases, such as plagiarism detection, in market-leading third-party organisations. CORE has played a pivotal role in the global move towards universal open access by making scientific knowledge more easily and freely discoverable. In this paper, we describe CORE’s continuously growing dataset and the motivation behind its creation, present the challenges associated with systematically gathering research papers from thousands of data providers worldwide at scale, and introduce the novel solutions that were developed to overcome these challenges. The paper then provides an in-depth discussion of the services and tools built on top of the aggregated data and finally examines several use cases that have leveraged the CORE dataset and services.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗